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Chemical Structure| 108763-41-3 Chemical Structure| 108763-41-3

Structure of 108763-41-3

Chemical Structure| 108763-41-3

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Product Details of [ 108763-41-3 ]

CAS No. :108763-41-3
Formula : C12H14N2O4
M.W : 250.25
SMILES Code : O=C(OC)C1=CC=C([N+]([O-])=O)C(/C=C/N(C)C)=C1
MDL No. :MFCD06496141

Safety of [ 108763-41-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319
Precautionary Statements:P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Application In Synthesis of [ 108763-41-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 108763-41-3 ]

[ 108763-41-3 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 108763-41-3 ]
  • [ 148625-35-8 ]
YieldReaction ConditionsOperation in experiment
With sodium periodate; water; In tetrahydrofuran; at 20 - 40℃; Step 2: 3-Formyl-4-nitro-benzoic acid methyl ester (Compound 4); [0216] Compound 3 (11. 81G 47.2 mmol) and NAI04 (30.3 g 141.6 mmol) was dissolved in 250 mL THF/H2O 1: 1 at room temperature. The dark red solution was warmed to about 40 °C while heavy precipitation occurred and the color changed to light brown. After 1 h the precipitate was removed by filtration and washed with 200 mL ethyl acetate. The organic layer was washed three times with saturated NAHC03, once with brine and dried with NA2S04. The solution was evaporated to dryness and the resulting oil was purified on a silicagel pad eluting with DCM-hexane gradient (30percent to 60percent DCM) to yield after evaporation yellow Compound 4. [0217] H'-NMR (CDC13) : S (ppm) 10.39 (s, 1H, CHO), 8.57 (d, 1H, J=2.1 Hz, AR-H2) 8.40-8. 36 (dd, 1H, J=2.1 Hz and 8.4Hz, Ar-H6), 8.14 (d, 1H, J=8. 4Hz, AR-H5), 4.00 (s, 3H, OCH3).
  • 2
  • [ 62621-09-4 ]
  • [ 4637-24-5 ]
  • [ 108763-41-3 ]
YieldReaction ConditionsOperation in experiment
64% In N,N-dimethyl-formamide; for 48h;Heating / reflux; Intermediate 31; Methyl 3-r(E)-2-(dimethylamino)ethenyll-4-nitrobenzoate; To a solution of methyl 3-methyl-4-nitrobenzoate (25 g, 128 mmol) in DMF (100 ml) was added lambda/,lambda/-dimethyl-1 ,1-bis(methyloxy)methanamine (75 ml, in excess). The reaction mixture was stirred at reflux for 48 hours and concentrated. The red dark solid was diluted with toluene (150 ml), heptane (1.5 I) was added and the product was precipitated. This precipitate was filtered and washed with heptane to give the title compound as purple solid (20.5 g, 64%). <n="44"/>NMR1H NMR (300 MHz), CDCI3 delta: 8.14 (dd, 1 H, J=1.80 Hz), 7.83 (d, 1 H, J=8.56 Hz), 7.08 (d, 1 H, J=13.50 Hz), 5.78 (d, 1 H, J=13.33Hz), 3.95 (s, 3H), 2.95 (s, 6H).
 

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